1 citations · 1 across the 2 of their papers we have counts for
3 papers
Resolving the ground state intersection problem in coupled cluster theory
Leo Stoll, Federico Rossi, Henrik Koch
A physically correct description of ground state conical intersections is essential for simulating non-adiabatic dynamics of radiationless decay to the electronic ground state. Cou…
eT 2.0: An efficient open-source molecular electronic structure program
Sarai Dery Folkestad, Eirik F. Kjønstad, Alexander C. Paul +34
The eT program is an open-source electronic structure program with emphasis on performance and modularity. As its name suggests, the program features extensive coupled cluster capa…
Similarity Constrained CC2 for Efficient Coupled Cluster Nonadiabatic Dynamics
Leo Stoll, Sara Angelico, Eirik F. Kjønstad +1
Despite their high accuracy, standard coupled cluster models cannot be used for nonadiabatic molecular dynamics simulations because they yield unphysical complex excitation energie…